ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011031
RECORD_TITLE: METHYL (2-TROPONYL)GLYOXALATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL (2-TROPONYL)GLYOXALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₈O₄
CH$EXACT_MASS: 192.04226
CH$SMILES: COC(=O)C(=O)C(=C1)C(=O)C=CC=C1
CH$IUPAC: InChI=1S/C10H8O4/c1-14-10(13)9(12)7-5-3-2-4-6-8(7)11/h2-6H,1H3
CH$LINK: INCHIKEY KKPYXPMMTHQRSE-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zi0-9400000000-d1714831b0b5e14d51f7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  30 1.41 14
  37 2.97 30
  38 5.83 58
  39 9.96 100
  43 1.22 12
  49 2.4 24
  50 27.52 275
  51 80.35 804
  52 4.88 49
  53 5.94 59
  59 7.34 73
  61 1.57 16
  62 4.08 41
  63 4.51 45
  64 1.66 17
  65 2.33 23
  73 1.23 12
  74 7.71 77
  75 6.12 61
  76 8.4 84
  77 99.99 999
  78 9.72 97
  79 1.55 16
  90 5.11 51
  91 15.34 153
  92 5.03 50
  93 1.34 13
  105 71.28 713
  106 8.57 86
  107 1.51 15
  118 3.02 30
  121 1.22 12
  133 26.56 266
  134 3.06 31
  150 26.49 265
  151 2.62 26
  161 1.3 13
  164 4.81 48
  192 8.11 81
  193 1.21 12
//